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BX795

CAT: 1410-M15696-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M15696-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BX795 is a potent and relatively specific PDK1 inhibitor with IC50 of 6 nM; also inhibits TBK1 and IKKε with IC50 of 6 nM and 41 nM.
CAS Number
702675-74-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
591.4677
Molecular Formula
C23H26IN7O2S
Notes
Research use only, not for human use.
Receptor
CDK2/CyclinE|Chk1|c-Kit|PDK1

Chemical Information

N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide

N-[3-[[5-iodo-4-[3-[[oxo(thiophen-2-yl)methyl]amino]propylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide is a member of ureas.

CAS Number702675-74-9
PubChem CID10077147
IUPAC NameN-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
Molecular FormulaC23H26IN7O2S
Molecular Weight591.5
XLogP4.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity669
SMILES
C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I
InChI
InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
InChIKey
VAVXGGRQQJZYBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CAS: 702675-74-9
CID: 10077147
Formula: C23H26IN7O2S
MW: 591.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.5
XLogP34.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass591.09134
Monoisotopic Mass591.09134
Topological Polar Surface Area140 Ų
Heavy Atom Count34
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8222-SBX795

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